1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine

C13H25NO — CID 106653099

IUPAC1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)C1=CCCCC1
InChIInChI=1S/C13H25NO/c1-3-14-13(10-7-11-15-2)12-8-5-4-6-9-12/h8,13-14H,3-7,9-11H2,1-2H3
InChIKeySJLROCWULICYOI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds7

About 1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine

1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine (PubChem CID 106653099) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine
PubChem CID106653099
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)C1=CCCCC1
InChIInChI=1S/C13H25NO/c1-3-14-13(10-7-11-15-2)12-8-5-4-6-9-12/h8,13-14H,3-7,9-11H2,1-2H3
InChIKeySJLROCWULICYOI-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine (CID 106653099) is 1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine is CCNC(CCCOC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine?
The InChIKey is SJLROCWULICYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-14-13(10-7-11-15-2)12-8-5-4-6-9-12/h8,13-14H,3-7,9-11H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine?
1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-4-methoxybutan-1-amine is sourced from PubChem (CID 106653099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).